Information card for entry 7131724

Structure parameters

• Formula: C20 H18 N O4 P
• Calculated formula: C20 H18 N O4 P
• Title of publication: Ring expansion reactions of PO-containing molecules.
• Authors of publication: Yang, Zhongzhen; Tam, Jerry K. F.; Wootton, Jack M.; Lynam, Jason M.; Unsworth, William P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 51
• Pages of publication: 7927 - 7930
• a: 11.34363 ± 0.00018 Å
• b: 9.78579 ± 0.00015 Å
• c: 15.6829 ± 0.0002 Å
• α: 90°
• β: 93.0143 ± 0.0014°
• γ: 90°
• Cell volume: 1738.49 ± 0.04 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No